SCHEMBL4033923

SCHEMBL4033923

O=C(Oc1cc(OC2CCCC2)c2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2c1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.61
ERBB2 P04626 10/20 0.61
ERBB4 Q15303 4/20 0.51
ERBB3 P21860 1/20 0.51
GAK O14976 1/20 0.50
JAK3 P52333 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4034347 0.94 EGFR (0.59) EGFRERBB2ERBB4ERBB3
SCHEMBL4034844 0.93 EGFR (0.74) EGFRERBB2
SCHEMBL4037940 0.91 EGFR (0.63) EGFRERBB2ERBB4ERBB3
Trifluoroacetic Acid SCHEMBL4033922 0.89 EGFR (0.63) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4037278 0.88 EGFR (0.67) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4033543 0.87 EGFR (0.66) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4033032 0.86 EGFR (0.65) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4031808 0.86 EGFR (0.65) EGFRERBB2
Trifluoroacetic Acid SCHEMBL4034350 0.82 EGFR (0.61) EGFRERBB2ERBB4ERBB3
Trifluoroacetic Acid SCHEMBL4034843 0.81 EGFR (0.76) EGFRERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885ERBB2 1/4885ERBB4 5/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.